N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H23N3O5S — CID 108790651

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)c1
InChIInChI=1S/C26H23N3O5S/c1-3-35(33,34)19-14-15-21(30)20(16-19)27-25(31)23-22(17-10-6-4-7-11-17)24(28-29(2)26(23)32)18-12-8-5-9-13-18/h4-16,30H,3H2,1-2H3,(H,27,31)
InChIKeyKUMXVWWOMSKCIS-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.87
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790651) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790651
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)c1
InChIInChI=1S/C26H23N3O5S/c1-3-35(33,34)19-14-15-21(30)20(16-19)27-25(31)23-22(17-10-6-4-7-11-17)24(28-29(2)26(23)32)18-12-8-5-9-13-18/h4-16,30H,3H2,1-2H3,(H,27,31)
InChIKeyKUMXVWWOMSKCIS-UHFFFAOYSA-N
XLogP3.87
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-(2-chloro-4-nitrophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790617
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477146
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108727347
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790651) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is KUMXVWWOMSKCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-3-35(33,34)19-14-15-21(30)20(16-19)27-25(31)23-22(17-10-6-4-7-11-17)24(28-29(2)26(23)32)18-12-8-5-9-13-18/h4-16,30H,3H2,1-2H3,(H,27,31).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).